2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-(3-thiophenylsulfonyl)-3-piperidinyl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[(3S)-1-thiophen-3-ylsulfonylpiperidin-3-yl]azanium Traditional Name: homoveratryl-methyl-[(3S)-1-(3-thienylsulfonyl)-3-piperidyl]ammonium Formula: C20H29N2O4S2+ MolecularWeight: 425.58526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC(=C(C=C1)OC)OC)C2CCCN(C2)S(=O)(=O)C3=CSC=C3

Isomeric SMILES

C[NH+](CCC1=CC(=C(C=C1)OC)OC)[C@H]2CCCN(C2)S(=O)(=O)C3=CSC=C3

InChI

InChI=1S/C20H28N2O4S2/c1-21(11-8-16-6-7-19(25-2)20(13-16)26-3)17-5-4-10-22(14-17)28(23,24)18-9-12-27-15-18/h6-7,9,12-13,15,17H,4-5,8,10-11,14H2,1-3H3/p+1/t17-/m0/s1